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Acetic Acid → (S)-3-[1-(4,6-dimethyl-benzo[d]isothiazol-3-ylmethyl)-2,4-dioxo-1,4-dihydro-2H-pyrido[3,2-d]pyrimidin-3-yl]-pentanoic acid

HRID 1887194
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HRID 1887194 반응식
C[O:2][C:3](=[O:32])[CH2:4][C@@H:5]([N:8]1[C:13](=[O:14])[C:12]2[N:15]=[CH:16][CH:17]=[CH:18][C:11]=2[N:10]([CH2:19][C:20]2[C:24]3[C:25]([CH3:30])=[CH:26][C:27]([CH3:29])=[CH:28][C:23]=3[S:22][N:21]=2)[C:9]1=[O:31])[CH2:6][CH3:7].[OH-].[Li+].C(O)(=O)C.O>O1CCOCC1>[CH3:30][C:25]1[C:24]2[C:20]([CH2:19][N:10]3[C:11]4[CH:18]=[CH:17][CH:16]=[N:15][C:12]=4[C:13](=[O:14])[N:8]([C@@H:5]([CH2:6][CH3:7])[CH2:4][C:3]([OH:32])=[O:2])[C:9]3=[O:31])=[N:21][S:22][C:23]=2[CH:28]=[C:27]([CH3:29])[CH:26]=1
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참가 물질

6

반응물 4

HCID 176Acetic AcidHCID 962WaterHCID 3939Lithium HydroxideHCID 67503561(S)-3-[1-(4,6-dimethyl-benzo[d]isothiazol-3-ylmethyl)-2,4-dioxo-1,4-dihydro-2H-pyrido[3,2-d]pyrimidin-3-yl]-pentanoic acid methyl ester

생성물 1

HCID 46853666(S)-3-[1-(4,6-dimethyl-benzo[d]isothiazol-3-ylmethyl)-2,4-dioxo-1,4-dihydro-2H-pyrido[3,2-d]pyrimidin-3-yl]-pentanoic acid수율 34%

시약·촉매·용매 1

HCID 312751,4-Dioxane용매

실험 절차

To a solution of 80 mg of (S)-3-[1-(4,6-dimethyl-benzo[d]isothiazol-3-ylmethyl)-2,4-dioxo-1,4-dihydro-2H-pyrido[3,2-d]pyrimidin-3-yl]-pentanoic acid methyl ester in 1,4-dioxane (2.5 mL) is added lithium hydroxide solution (11 mg of lithium hydroxide monohydrate in 0.5 mL of water) at room temperature. The solution is stirred at the same temperature for 3.5 h. Then 0.5 mL of acetic acid is added along with 25 mL of water. The mixture is extracted with ethyl acetate (3×50 mL). The combined organic layers are dried over sodium sulfate and concentrated. The residue is purified by flash chromatography on silica gel to give 26 mg (34%) of (S)-3-[1-(4,6-dimethyl-benzo[d]isothiazol-3-ylmethyl)-2,4-dioxo-1,4-dihydro-2H-pyrido[3,2-d]pyrimidin-3-yl]-pentanoic acid; LCMS (ESMS): m/z 439.12 (M+H+).

후처리

  1. extractionThe mixture is extracted with ethyl acetate (3×50 mL)
  2. dry with materialThe combined organic layers are dried over sodium sulfate
  3. concentrationconcentrated
  4. customThe residue is purified by flash chromatography on silica gel

출처 및 근거

ORD 기록
ord-63c25d5536534924aa3eae3a9ebfd9fe
출처 데이터셋
uspto-grants-2013_08
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US08501749B2

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